(5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide

C8H14N2O — CID 59864817

IUPAC(5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide
SMILESCNC(=O)C1C=C[C@H](C)N1C
InChIInChI=1S/C8H14N2O/c1-6-4-5-7(10(6)3)8(11)9-2/h4-7H,1-3H3,(H,9,11)/t6-,7?/m0/s1
InChIKeyPAJRODSHXSPTCX-PKPIPKONSA-N
MW154.21 g/mol
LogP-0.01
Rot. Bonds1

About (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide

(5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 59864817) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID59864817
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide
SMILESCNC(=O)C1C=C[C@H](C)N1C
InChIInChI=1S/C8H14N2O/c1-6-4-5-7(10(6)3)8(11)9-2/h4-7H,1-3H3,(H,9,11)/t6-,7?/m0/s1
InChIKeyPAJRODSHXSPTCX-PKPIPKONSA-N
XLogP-0.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide (CID 59864817) is (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide is CNC(=O)C1C=C[C@H](C)N1C.
What is the InChIKey of (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is PAJRODSHXSPTCX-PKPIPKONSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-4-5-7(10(6)3)8(11)9-2/h4-7H,1-3H3,(H,9,11)/t6-,7?/m0/s1.
What are the key properties of (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide?
(5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,1,5-trimethyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 59864817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).